1,2,4,5-tetrabutyl-1H-imidazol-1-ium

C19H37N2+ — CID 149434208

IUPAC1,2,4,5-tetrabutyl-1H-imidazol-1-ium
SMILESCCCCC1=NC(CCCC)=C(CCCC)[NH+]1CCCC
InChIInChI=1S/C19H36N2/c1-5-9-13-17-18(14-10-6-2)21(16-12-8-4)19(20-17)15-11-7-3/h5-16H2,1-4H3/p+1
InChIKeyPQGFDBPIIHVOKX-UHFFFAOYSA-O
MW293.52 g/mol
LogP4.87
Rot. Bonds12

About 1,2,4,5-tetrabutyl-1H-imidazol-1-ium

1,2,4,5-tetrabutyl-1H-imidazol-1-ium (PubChem CID 149434208) has the molecular formula C19H37N2+ and a molecular weight of 293.52 g/mol. Its IUPAC name is 1,2,4,5-tetrabutyl-1H-imidazol-1-ium.

Molecular Properties

Compound Name1,2,4,5-tetrabutyl-1H-imidazol-1-ium
PubChem CID149434208
Molecular FormulaC19H37N2+
Molecular Weight293.52 g/mol
Exact Mass293.30
IUPAC Name1,2,4,5-tetrabutyl-1H-imidazol-1-ium
SMILESCCCCC1=NC(CCCC)=C(CCCC)[NH+]1CCCC
InChIInChI=1S/C19H36N2/c1-5-9-13-17-18(14-10-6-2)21(16-12-8-4)19(20-17)15-11-7-3/h5-16H2,1-4H3/p+1
InChIKeyPQGFDBPIIHVOKX-UHFFFAOYSA-O
XLogP4.87
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,2,2-tetrafluoroethene;2,4,5-trihexyl-1-methyl-1H-imidazol-1-ium
CID 157730165
1,2,4,5-tetraethyl-1H-imidazol-1-ium
CID 149434284
1,4-diethyl-2,5-dimethyl-1H-imidazol-1-ium
CID 154065352
2,4,5-trihexyl-1-methyl-1H-imidazol-1-ium
CID 154158827
1,1,2,4,5-Pentapentylimidazol-1-ium
CID 175286697

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrabutyl-1H-imidazol-1-ium?
The IUPAC name of 1,2,4,5-tetrabutyl-1H-imidazol-1-ium (CID 149434208) is 1,2,4,5-tetrabutyl-1H-imidazol-1-ium.
What is the SMILES notation for 1,2,4,5-tetrabutyl-1H-imidazol-1-ium?
The canonical SMILES for 1,2,4,5-tetrabutyl-1H-imidazol-1-ium is CCCCC1=NC(CCCC)=C(CCCC)[NH+]1CCCC.
What is the InChIKey of 1,2,4,5-tetrabutyl-1H-imidazol-1-ium?
The InChIKey is PQGFDBPIIHVOKX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H36N2/c1-5-9-13-17-18(14-10-6-2)21(16-12-8-4)19(20-17)15-11-7-3/h5-16H2,1-4H3/p+1.
What are the key properties of 1,2,4,5-tetrabutyl-1H-imidazol-1-ium?
1,2,4,5-tetrabutyl-1H-imidazol-1-ium has a molecular weight of 293.52 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrabutyl-1H-imidazol-1-ium is sourced from PubChem (CID 149434208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).